SCHEMBL10439705

SCHEMBL10439705

CC(N)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@]2(O)C(C)(C)[C@@]12O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.54
ADORA3 P0DMS8 3/20 0.48
PI4KA P42356 2/20 0.45
PI4K2B Q8TCG2 2/20 0.45
PI4K2A Q9BTU6 2/20 0.45
PI4KB Q9UBF8 2/20 0.45
AHCY P23526 6/20 0.44
ADORA2B P29275 2/20 0.44
DOT1L Q8TEK3 2/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
DPP4 P27487 1/20 0.42
MEN1 O00255 1/20 0.42
SLC28A1 O00337 1/20 0.42
MAP3K7 O43318 1/20 0.42
SLC28A2 O43868 1/20 0.42
GAPDH P04406 1/20 0.42
MAPK1 P28482 1/20 0.42
ADORA1 P30542 1/20 0.42
STAT6 P42226 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6864727 0.89 ADORA2A (0.54) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL3408365 0.86 ADORA2A (0.54) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL11703712 0.86 ADORA2A (0.54) ADORA2AADORA3AHCYADORA2BADORA1
SCHEMBL6299609 0.86 ADORA2A (0.54) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL6298549 0.85 ADORA2A (0.53) ADORA2AADORA3AHCYADORA2BADORA1
SCHEMBL3409898 0.85 ADORA2A (0.53) ADORA2AADORA3AHCYADORA2BADORA1
SCHEMBL11701245 0.84 ADORA2A (0.53) ADORA2AADORA3AHCYADORA2BADORA1
SCHEMBL3409866 0.81 ADA (0.51) ADORA2AADORA3SMN1; SMN2
SCHEMBL3411985 0.81 ADORA2A (0.53) ADORA2AADORA3AHCYADORA2BMEN1
SCHEMBL1078828 0.81 ADORA2A (0.64) ADORA2AADORA3PI4KAPI4K2BPI4K2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358536-A2 Novel S-adenosyl methionine decarboxylase inhibitors MERRELL PHARMACEUTICALS INC. (US) 1990-03-14 EP disclosed